The problem of unphysical states in the theory of intermolecular interactions William H. Adams OriginalPaper Pages: 1 - 23
Effective Hamiltonian method for environmental effects S. HuzinagaS. KatsukiO. Matsuoka OriginalPaper Pages: 25 - 39
Self-consistent embedded clusters: Building block equations for localized orthogonal orbitals Luis SeijoZoila Barandiarán OriginalPaper Pages: 41 - 56
Self-consistent, nonorthogonal group function approximation: An ab initio approach for modelling interacting fragments and environmental effects Ernest L. Mehler OriginalPaper Pages: 57 - 91
Common theoretical framework for quantum chemical solvent effect theories János G. Ángyán OriginalPaper Pages: 93 - 137
Solvent effect theories: Quantum and classical formalisms and their applications in chemistry and biochemistry O. Tapia OriginalPaper Pages: 139 - 181
Continuum models of environmental effects on molecular structure and mechanisms in chemistry and biology Stanislav MiertusVladimir Frecer OriginalPaper Pages: 183 - 204
An energy decomposition analysis of intermolecular interactions Inge Røeggen OriginalPaper Pages: 205 - 220
Chromophores in spectroscopy: Ab initio studies of localized descriptions of molecular electronic excitations Aage E. HansenThomas D. Bouman OriginalPaper Pages: 221 - 247
A theoretical analysis of excited state proton transfer in 3-hydroxyflavone. Promoting effect of a low frequency bending mode Andrea PelusoCarlo AdamoGiuseppe Del Re OriginalPaper Pages: 249 - 274
Modelling light diatomics trapped in rare gas matrices: H2, HD and D2 in Ar, Kr and Xe B. SilviV. ChandrasekharanR. D. Etters OriginalPaper Pages: 275 - 302
Embedding by pseudo atoms, and the topologically determined one-electronic energy levels István László OriginalPaper Pages: 303 - 311
Configurational dependence of molecular shape Gustav A. ArtecaPaul G. Mezey OriginalPaper Pages: 329 - 371
